1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one

C10H9ClF2N4O2 — CID 14774834

IUPAC1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one
SMILESO=c1n(CCCF)nnn1-c1cc(O)c(Cl)cc1F
InChIInChI=1S/C10H9ClF2N4O2/c11-6-4-7(13)8(5-9(6)18)17-10(19)16(14-15-17)3-1-2-12/h4-5,18H,1-3H2
InChIKeyYJJSFDJPKSNEFH-UHFFFAOYSA-N
MW290.66 g/mol
LogP1.29
Rot. Bonds4

About 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one

1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one (PubChem CID 14774834) has the molecular formula C10H9ClF2N4O2 and a molecular weight of 290.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one
PubChem CID14774834
Molecular FormulaC10H9ClF2N4O2
Molecular Weight290.66 g/mol
Exact Mass290.04
IUPAC Name1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one
SMILESO=c1n(CCCF)nnn1-c1cc(O)c(Cl)cc1F
InChIInChI=1S/C10H9ClF2N4O2/c11-6-4-7(13)8(5-9(6)18)17-10(19)16(14-15-17)3-1-2-12/h4-5,18H,1-3H2
InChIKeyYJJSFDJPKSNEFH-UHFFFAOYSA-N
XLogP1.29
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.66
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one?
The IUPAC name of 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one (CID 14774834) is 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one.
What is the SMILES notation for 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one?
The canonical SMILES for 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one is O=c1n(CCCF)nnn1-c1cc(O)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one?
The InChIKey is YJJSFDJPKSNEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N4O2/c11-6-4-7(13)8(5-9(6)18)17-10(19)16(14-15-17)3-1-2-12/h4-5,18H,1-3H2.
What are the key properties of 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one?
1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one has a molecular weight of 290.66 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(3-fluoropropyl)tetrazol-5-one is sourced from PubChem (CID 14774834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).